3-(4-methoxyphenyl)-6,7-dihydro-5H-pyrrolizine-1,2-dicarboxylic acid

C16H15NO5 — CID 1473420

IUPAC3-(4-methoxyphenyl)-6,7-dihydro-5H-pyrrolizine-1,2-dicarboxylic acid
SMILESCOc1ccc(-c2c(C(=O)O)c(C(=O)O)c3n2CCC3)cc1
InChIInChI=1S/C16H15NO5/c1-22-10-6-4-9(5-7-10)14-13(16(20)21)12(15(18)19)11-3-2-8-17(11)14/h4-7H,2-3,8H2,1H3,(H,18,19)(H,20,21)
InChIKeyDMAQNDSWOZHGCU-UHFFFAOYSA-N
MW301.30 g/mol
LogP2.51
Rot. Bonds4

About 3-(4-methoxyphenyl)-6,7-dihydro-5H-pyrrolizine-1,2-dicarboxylic acid

3-(4-methoxyphenyl)-6,7-dihydro-5H-pyrrolizine-1,2-dicarboxylic acid (PubChem CID 1473420) has the molecular formula C16H15NO5 and a molecular weight of 301.30 g/mol. Its IUPAC name is 3-(4-methoxyphenyl)-6,7-dihydro-5H-pyrrolizine-1,2-dicarboxylic acid.

Molecular Properties

Compound Name3-(4-methoxyphenyl)-6,7-dihydro-5H-pyrrolizine-1,2-dicarboxylic acid
PubChem CID1473420
Molecular FormulaC16H15NO5
Molecular Weight301.30 g/mol
Exact Mass301.10
IUPAC Name3-(4-methoxyphenyl)-6,7-dihydro-5H-pyrrolizine-1,2-dicarboxylic acid
SMILESCOc1ccc(-c2c(C(=O)O)c(C(=O)O)c3n2CCC3)cc1
InChIInChI=1S/C16H15NO5/c1-22-10-6-4-9(5-7-10)14-13(16(20)21)12(15(18)19)11-3-2-8-17(11)14/h4-7H,2-3,8H2,1H3,(H,18,19)(H,20,21)
InChIKeyDMAQNDSWOZHGCU-UHFFFAOYSA-N
XLogP2.51
TPSA88.76 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500301.30
LogP ≤ 52.51
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 3-(4-methoxyphenyl)-6,7-dihydro-5H-pyrrolizine-1,2-dicarboxylic acid?
The IUPAC name of 3-(4-methoxyphenyl)-6,7-dihydro-5H-pyrrolizine-1,2-dicarboxylic acid (CID 1473420) is 3-(4-methoxyphenyl)-6,7-dihydro-5H-pyrrolizine-1,2-dicarboxylic acid.
What is the SMILES notation for 3-(4-methoxyphenyl)-6,7-dihydro-5H-pyrrolizine-1,2-dicarboxylic acid?
The canonical SMILES for 3-(4-methoxyphenyl)-6,7-dihydro-5H-pyrrolizine-1,2-dicarboxylic acid is COc1ccc(-c2c(C(=O)O)c(C(=O)O)c3n2CCC3)cc1.
What is the InChIKey of 3-(4-methoxyphenyl)-6,7-dihydro-5H-pyrrolizine-1,2-dicarboxylic acid?
The InChIKey is DMAQNDSWOZHGCU-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H15NO5/c1-22-10-6-4-9(5-7-10)14-13(16(20)21)12(15(18)19)11-3-2-8-17(11)14/h4-7H,2-3,8H2,1H3,(H,18,19)(H,20,21).
What are the key properties of 3-(4-methoxyphenyl)-6,7-dihydro-5H-pyrrolizine-1,2-dicarboxylic acid?
3-(4-methoxyphenyl)-6,7-dihydro-5H-pyrrolizine-1,2-dicarboxylic acid has a molecular weight of 301.30 g/mol, XLogP of 2.51, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(4-methoxyphenyl)-6,7-dihydro-5H-pyrrolizine-1,2-dicarboxylic acid is sourced from PubChem (CID 1473420), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).